By Subhash C. Basak,Guillermo Restrepo,Jose L. Villaveces

Advances in Mathematical Chemistry and Applications highlights the hot growth within the rising self-discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have introduced jointly 27 chapters written through sixty eight across the world popular specialists in those volumes.

Each quantity includes a smart integration of mathematical and chemical suggestions and covers quite a few functions within the box of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology.

Volume 2 explores deeper the themes brought in quantity 1, with various extra issues corresponding to topological ways for classifying fullerene isomers; chemical response networks; discrimination of small molecules utilizing topological molecular descriptors; GRANCH equipment for the mathematical characterization of DNA, RNA and protein sequences; linear regression equipment and Bayesian recommendations; in silico toxicity prediction equipment; drug layout; integration of bioinformatics and structures biology, molecular docking, and molecular dynamics; metalloenzyme versions; protein folding versions; molecular periodicity; generalized topologies and their functions; and plenty of more.

  • Brings jointly either the theoretical and functional features of the elemental thoughts of mathematical chemistry
  • Covers functions in varied parts of physics, chemistry, drug discovery, predictive toxicology, structures biology, chemoinformatics, and bioinformatics
  • About half the publication focuses totally on present paintings, new functions, and rising techniques for the mathematical characterization of crucial facets of molecular constitution, whereas the opposite part describes functions of structural method of new drug discovery, digital screening, protein folding, predictive toxicology, DNA constitution, and platforms biology

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